(2R)-N-benzyl-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide

C17H24N4O4S — CID 95729521

IUPAC(2R)-N-benzyl-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide
SMILESCOCCc1noc([C@H]2CCCCN2S(=O)(=O)NCc2ccccc2)n1
InChIInChI=1S/C17H24N4O4S/c1-24-12-10-16-19-17(25-20-16)15-9-5-6-11-21(15)26(22,23)18-13-14-7-3-2-4-8-14/h2-4,7-8,15,18H,5-6,9-13H2,1H3/t15-/m1/s1
InChIKeyYQIMHTVURQAFTA-OAHLLOKOSA-N
MW380.47 g/mol
LogP1.82
Rot. Bonds8

About (2R)-N-benzyl-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide

(2R)-N-benzyl-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide (PubChem CID 95729521) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is (2R)-N-benzyl-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide
PubChem CID95729521
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC Name(2R)-N-benzyl-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide
SMILESCOCCc1noc([C@H]2CCCCN2S(=O)(=O)NCc2ccccc2)n1
InChIInChI=1S/C17H24N4O4S/c1-24-12-10-16-19-17(25-20-16)15-9-5-6-11-21(15)26(22,23)18-13-14-7-3-2-4-8-14/h2-4,7-8,15,18H,5-6,9-13H2,1H3/t15-/m1/s1
InChIKeyYQIMHTVURQAFTA-OAHLLOKOSA-N
XLogP1.82
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,3-dihydro-1H-inden-2-yl)-1-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 91841472
5-[1-(benzenesulfonyl)piperidin-2-yl]-3-ethyl-1,2,4-oxadiazole
CID 56728144
5-[1-[(1-benzylimidazol-2-yl)methyl]piperidin-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 134700016
3-(2-methoxyethyl)-5-[1-(2-methylsulfonylethyl)piperidin-2-yl]-1,2,4-oxadiazole
CID 134711986
2-[4-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]quinazolin-2-yl]ethanamine
CID 50962042
3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 70955476
cyclopentyl-[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 91920788
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-sulfonamide
CID 122560921
N-(2-chloro-6-methylphenyl)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 72916410
3-ethyl-5-[(2S)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole
CID 95110628
[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone
CID 138807069
[(2S)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
CID 97141342

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide?
The IUPAC name of (2R)-N-benzyl-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide (CID 95729521) is (2R)-N-benzyl-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide.
What is the SMILES notation for (2R)-N-benzyl-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide?
The canonical SMILES for (2R)-N-benzyl-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide is COCCc1noc([C@H]2CCCCN2S(=O)(=O)NCc2ccccc2)n1.
What is the InChIKey of (2R)-N-benzyl-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide?
The InChIKey is YQIMHTVURQAFTA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-24-12-10-16-19-17(25-20-16)15-9-5-6-11-21(15)26(22,23)18-13-14-7-3-2-4-8-14/h2-4,7-8,15,18H,5-6,9-13H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide?
(2R)-N-benzyl-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide has a molecular weight of 380.47 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide is sourced from PubChem (CID 95729521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).